7-nitro-5-nonyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 7-nitro-5-nonyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7-nitro-5-nonyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one CAS Name: 7-nitro-5-nonyl-9-phenoxy-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 7-nitro-5-nonyl-9-phenoxybenzo[b][1,4]benzoxazepin-6-one Traditional Name: 7-nitro-5-nonyl-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N2O5/c1-2-3-4-5-6-7-13-18-29-23-16-11-12-17-25(23)35-26-20-22(34-21-14-9-8-10-15-21)19-24(30(32)33)27(26)28(29)31/h8-12,14-17,19-20H,2-7,13,18H2,1H3